- InChI
- InChI=1S/C20H30O6/c1-5-6-7-10-15(2)25-18(21)13-9-14-19(22)26-20-16(23-3)11-8-12-17(20)24-4/h8,11-12,15H,5-7,9-10,13-14H2,1-4H3
- InChI Key
- QJJZENZNYPRMAT-UHFFFAOYSA-N
- Formula
- C20H30O6
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1c(OC
)cccc1OC - Molecular Weight1
- 366.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1077.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.292 | Crippen Calculated Property | |
| McVol | 295.520 | ml/mol | McGowan Calculated Property |
| Inp | [2542.00; 2542.00] |
|
|
| Inp | 2542.00 | NIST | |
| Inp | 2542.00 | NIST | |
| Tboil | 645.61 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [923.14; 995.05] | J/mol×K | [854.68; 1054.65] |
|
| Cp,gas | 923.14 | J/mol×K | 854.68 | Joback Calculated Property |
| Cp,gas | 938.54 | J/mol×K | 888.01 | Joback Calculated Property |
| Cp,gas | 952.58 | J/mol×K | 921.34 | Joback Calculated Property |
| Cp,gas | 965.25 | J/mol×K | 954.67 | Joback Calculated Property |
| Cp,gas | 976.56 | J/mol×K | 987.99 | Joback Calculated Property |
| Cp,gas | 986.49 | J/mol×K | 1021.32 | Joback Calculated Property |
| Cp,gas | 995.05 | J/mol×K | 1054.65 | Joback Calculated Property |
| η | [0.0000220; 0.0003989] | Pa×s | [480.74; 854.68] |
|
| η | 0.0003989 | Pa×s | 480.74 | Joback Calculated Property |
| η | 0.0001864 | Pa×s | 543.06 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 605.39 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 667.71 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 730.03 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 792.36 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 854.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2,6-dimethoxyphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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